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HEAD
Improved version for builds from modified trees.
[gromacs/qmmm-gamess-us.git]
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encadv.ff
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aminoacids.c.tdb
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b60855dbaa400e6b362b4a495ca5535256a02518
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[ None ]
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[ COO- ]
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[ replace ]
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C Abis 12.011 0.64
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[ add ]
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2 8 O C CA N
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Obis 15.9994 -0.42
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[ delete ]
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O
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[ dihedrals ]
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N CA C O2
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[ impropers ]
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CA O2 C O1 improper_X_X_A_X
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N C CA CB improper_X_X_C_X
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[ COOH ]
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[ replace ]
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C Aprime 12.011 0.38
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O OH 15.9994 -0.38
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[ add ]
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1 2 OT C CA N
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O 15.9994 -0.433
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1 2 HO O C CA
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HO 1.008 0.433
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[ dihedrals ]
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N CA C O1
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[ impropers ]
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O2 CA C O1 improper_X_X_A_X
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